N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C19H18F3N3O2 — CID 38846497

IUPACN-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCc1ccc(N(CCC#N)C(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1C
InChIInChI=1S/C19H18F3N3O2/c1-13-4-6-16(10-14(13)2)25(9-3-8-23)18(27)12-24-11-15(19(20,21)22)5-7-17(24)26/h4-7,10-11H,3,9,12H2,1-2H3
InChIKeyCBSQIGQATSNYJF-UHFFFAOYSA-N
MW377.37 g/mol
LogP3.43
Rot. Bonds5

About N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 38846497) has the molecular formula C19H18F3N3O2 and a molecular weight of 377.37 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID38846497
Molecular FormulaC19H18F3N3O2
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC NameN-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCc1ccc(N(CCC#N)C(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1C
InChIInChI=1S/C19H18F3N3O2/c1-13-4-6-16(10-14(13)2)25(9-3-8-23)18(27)12-24-11-15(19(20,21)22)5-7-17(24)26/h4-7,10-11H,3,9,12H2,1-2H3
InChIKeyCBSQIGQATSNYJF-UHFFFAOYSA-N
XLogP3.43
TPSA66.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(3,4-dimethylphenyl)acetamide
CID 38980480
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 38846442
N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-(4-methylphenyl)acetamide
CID 78833376
1-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 7802597
N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetamide
CID 43058219
N-ethyl-N-(2-hydroxyethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 110886586
N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 78851600
2-(azepan-1-yl)-N-(4-chloro-3-methylphenyl)-N-(2-cyanoethyl)acetamide
CID 78828219
N-[(4-cyanophenyl)methyl]-N-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 39861104
N-(2-cyanoethyl)-2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 46583461
N-(2-cyanoethyl)-2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 46583164
N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-fluorobenzamide
CID 86979034

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 38846497) is N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is Cc1ccc(N(CCC#N)C(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1C.
What is the InChIKey of N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is CBSQIGQATSNYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2/c1-13-4-6-16(10-14(13)2)25(9-3-8-23)18(27)12-24-11-15(19(20,21)22)5-7-17(24)26/h4-7,10-11H,3,9,12H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 377.37 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 38846497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).